2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone

C28H20FN3O2 — CID 21332167

IUPAC2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(c1ccccc1)C(c1ccc(F)cc1)(c1ccc(Oc2ccccc2)cc1)n1cncn1
InChIInChI=1S/C28H20FN3O2/c29-24-15-11-22(12-16-24)28(32-20-30-19-31-32,27(33)21-7-3-1-4-8-21)23-13-17-26(18-14-23)34-25-9-5-2-6-10-25/h1-20H
InChIKeyYJPVKCLZJJCSGK-UHFFFAOYSA-N
MW449.49 g/mol
LogP5.88
Rot. Bonds7

About 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone

2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 21332167) has the molecular formula C28H20FN3O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID21332167
Molecular FormulaC28H20FN3O2
Molecular Weight449.49 g/mol
Exact Mass449.15
IUPAC Name2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(c1ccccc1)C(c1ccc(F)cc1)(c1ccc(Oc2ccccc2)cc1)n1cncn1
InChIInChI=1S/C28H20FN3O2/c29-24-15-11-22(12-16-24)28(32-20-30-19-31-32,27(33)21-7-3-1-4-8-21)23-13-17-26(18-14-23)34-25-9-5-2-6-10-25/h1-20H
InChIKeyYJPVKCLZJJCSGK-UHFFFAOYSA-N
XLogP5.88
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone (CID 21332167) is 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone is O=C(c1ccccc1)C(c1ccc(F)cc1)(c1ccc(Oc2ccccc2)cc1)n1cncn1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is YJPVKCLZJJCSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN3O2/c29-24-15-11-22(12-16-24)28(32-20-30-19-31-32,27(33)21-7-3-1-4-8-21)23-13-17-26(18-14-23)34-25-9-5-2-6-10-25/h1-20H.
What are the key properties of 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone?
2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 449.49 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-phenoxyphenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 21332167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).